SCHEMBL5540554

SCHEMBL5540554

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCNS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TDO2 P48775 1/20 0.38
PDE4B Q07343 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
MAPK8 P45983 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
POLB P06746 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5540936 0.86 KCNQ3 (0.41) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5540917 0.83 LMNA (0.46) LMNAPDE4BPOLBTP53MAPK1
SCHEMBL5004713 0.83 LMNA (0.44) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5538446 0.83 ALDH1A1 (0.40) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5540769 0.82 MEN1 (0.37) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5541057 0.82 ADORA3 (0.40) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5545678 0.82 MAPT (0.42) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL6061203 0.82 LMNA (0.38) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5545753 0.80 LMNA (0.46) LMNAMAPTALDH1A1NPSR1KDM4E
SCHEMBL5546436 0.80 RAB9A (0.41) LMNAMAPTALDH1A1NPSR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 LMNA 3503/4885MAPT 2173/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LMNA 4134/4885MAPT 949/4885ALDH1A1 3073/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.